7CIH

Microbial Hormone-sensitive lipase E53 mutant S285G

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL19U1
Synchrotron site	SSRF
Beamline	BL19U1
Temperature [K]	80
Detector technology	PIXEL
Collection date	2017-05-01
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.97776
Spacegroup name	P 21 2 21
Unit cell lengths	70.664, 129.692, 219.567
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.540 - 1.789
Rwork	0.169
R-free	0.19010
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4ypv
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHENIX
Refinement software	REFMAC (5.8.0258)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.540	1.853
High resolution limit [Å]	1.789	1.789
Rmerge	0.020	0.383
Number of reflections	189466	18072
<I/σ(I)>	18.53	2.05
Completeness [%]	99.5
Redundancy	2
CC(1/2)	0.999	0.825

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		291.15	MES pH 6.5, PEG, ammonium sulfate, dioxane, PEG 1000